(4S)-2-ethylsulfanyl-5-oxidanylidene-4-(phenylmethyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S)-2-ethylsulfanyl-5-oxidanylidene-4-(phenylmethyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-4-benzyl-2-ethylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-2-(ethylthio)-5-oxo-4-(phenylmethyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-4-benzyl-2-ethylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-4-benzyl-2-(ethylthio)-5-keto-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C2C(=N1)CCCC2=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCSC1=C([C@H](C2C(=N1)CCCC2=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H20N2OS/c1-2-23-19-15(12-20)14(11-13-7-4-3-5-8-13)18-16(21-19)9-6-10-17(18)22/h3-5,7-8,14,18H,2,6,9-11H2,1H3/t14-,18?/m1/s1